This report was created using the R package staRdom version 1.1.14, (Matthias Pucher [aut, cre], Daniel Graeber [aut, ctb], Stefan Preiner [ctb], Renata Pinto [ctb], 2020). The used template EEM_simple_analysis.Rmd was taken from staRdom 0.1.12.
#############################
#### Define data sources ####
#############################
# Please avoid "-" (minus) and space in file and column names and numbers at the beginning of file and column names!
#### Directory containing EEM data ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set the directory with your sample files. Please see eem_read() help for details on file formats.
# Sub folders are read in and are considered different sample sets.
# Import is done with eem.read() (package eemR), please see details there.
# The template refers to data coming with the package. Please use your data
# by setting the path to your files!
sample_dir = "../data/EEMs/" # e.g. sample_dir = "C:/some_folder/input/fluor/", system.file() accesses the example data coming with the package!
# Set the used instrument (with hyphens!):
# Cary Eclipse: "cary"
# Aqualog: "aqualog"
# Shimadzu: "shimadzu"
# Fluoromax-4: "fluoromax4"
# And furthermore, without hyphens:
# generic csv, excitation column-wise: eem_csv
# generic csv, emission column-wise: eem_csv2
# Hitachi F-7000: eem_hitachi
fluorometer = "aqualog"
#### Absorbance data ####
#~~~~~~~~~~~~~~~~~~~~~~~#
# Absorbance data is read from *.TXT or *.CSV files.
# Either a directory containing one or more files can be named or a single file containing all samples.
# Absorbance data is used for inner-filter-effect correction and calculation of the slope parameters.
# Those steps can be skipped but keep in mind it is important for a profound analysis!
#
# path of adsorbance data as directory or single file, sub folders are not read:
absorbance_dir = "../data/ABS_10cm/" # e.g. absorbance_dir = "C:/some_folder/input/absorbance/", system.file() accesses the exmaple data coming with the package!
# Path length of absorbance measurement in cm that was used in absorbance measurement.
# If it is set to "meta" data from the metadata table is used (details see below).
absorbance_path = 10 # e.g. absorbance_path = 5
#### Meta data ####
#~~~~~~~~~~~~~~~~~#
# Adding a table with meta data is OPTIONAL!
# The table can contain dilution factors, path lengths of
# the photometer and raman areas and is intended
# for cases where different values should be used for different
# samples. Each column can be used optionally.
# read table with metadata as *.TXT or *.CSV
# either a path or FALSE if no metadata file is used.
metadata = FALSE #system.file("extdata/metatable_dreem.csv", package = "staRdom") # e.g. metadata = "C:/some_folder/input/metatable.csv", system.file() accesses the exmaple data coming with the package!
#### Meta data: names of columns ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# column with sample names
col_samples = "sample"
# if you want to use dilution factors (e.g. 10 if 1 part sample and 9 parts solvent) from the meta data table, state the name
# of the column containing the dilution data and set dilution = "meta" (below)
col_dilution = "dilution"
# if you want to use the cuvette length (in cm) for the absorbance from the meta data table,
# state the name of the column containing the cuvette lengths and set absorbance_path = "meta" (below)
col_cuv_len = "cuv_len"
# if you want to use the raman area (under the curve) data from the meta data table, state the name
# of the column containing the raman areas and set raman_normalisation = "meta" (below)
col_raman_area = "raman"
#### Spectral correction of EEMs ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Some instruments, but not all need a spectral correction to compensate
# for specific deviations in the measurements. A vector for emission and
# excitation is used each. EEMs are cut to match the wavelength range of
# the vectors if used. Please provide paths to csv tables containing
# wavelengths in the first column and correction values in the second. If
# you do not want spectral correction to be done, setting these two input
# files it not necessary.
# Emission correction vector
Emcor <- FALSE # e.g. "C:\folder\emcor.csv", FALSE
# Excitation correction vector
Excor <- FALSE
###############################
#### Define desired output ####
###############################
#### Table output ####
#~~~~~~~~~~~~~~~~~~~~#
# Write a table with peaks and slope parameters.
# Written as xls or, in case of missing java environment or the package xlsx as csv.
output_xls = TRUE # e.g. TRUE
# In case of a csv export you can define the separator and the decimal point here.
out_sep_dec = c("\t", ".") # e.g. out_sep_dec = c("\t",".")
#### Plot settings PNG ####
#~~~~~~~~~~~~~~~~~~~~~~~~~#
# State whether you want pngs of the single EEM spectra written in your output directory
output_single_png = FALSE # e.g. TRUE
## State whether you want pngs of multiple EEM spectra written in your output directory
output_overview_png = FALSE # e.g. TRUE
## number of EEM spectra plottet in each overview image
overview_number = 6 # e.g. 6
# The scaling of the different sample plots can be chosen.
# Either all samples are coloured according to the range of the
# complete sample set (TRUE) or each plot is scaled separately (FALSE).
scale_col = FALSE # e.g. TRUE
# Add contours to yout plots?
contour = FALSE
#### Plot settings report ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# This block defines which plots are included in the report.
#
# Add plots with several EEM samples per plot.
# The number per plot is defined by overview_number above.
overview = TRUE # e.g. TRUE
# State whether you want plots from single EEM spectra in the report.
single_plots = TRUE # e.g. TRUE
#### Save data for further (R) analysis ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# File name where data is stored in RData format in the output directory.
# Set to FALSE if you dont want your eem data saved.
# Date, time and file extension is added automatically so you do not overwrite previous saved data.
data_file = "eem_data" # e.g. "eem_data"" or FALSE
# Desired name for the variable containing the eem data.
eem_name = "eem_list"
#########################
#### Data correction ####
#########################
#
#### Normalising absorbance data to baseline ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Absorbance data can be corrected by subtracting a baseline value from each sample.
# In high wavelength ranges (default 680-700 nm), the absorbance is assumed to be 0.
# The average value of that range (or any other range) is subtracted from the whole spectrum.
# abs_norm can be set TRUE to use the default range, you can specify the desired range by a vector of length 2 and you can set it FALSE to skip this correction.
abs_norm = TRUE # e.g. TRUE, c(700,800)
#### Correction of diluted samples ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set a dilution factor if your sample was diluted.
# All samples are multiplied with this factor.
# Please use a meta table (above) if your dilutions are differing
# 1 for no dilution, 10 for dilution 1:10 (1 part sample and 9
# parts ultrapure water), "meta" for data from meta table
dilution = 1 # e.g. 1
# In case of diluted samples, two absorbance measurements of the
# same sample in different dilutions might be present. If this is
# the case, EEMs are renamed to the undiluted sample, absorbance
# data might be multiplied by the dilution factor if it is only
# presentas diluted sample. This can be done automatically. In the
# final protocol a table shows, what has been done to the samples.
# Please check this table and see, if the output is what you
# wanted it to be!
dil_sample_name_correction = FALSE
#### Spectral correction of EEMs ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Some instruments, but not all need a spectral correction to compensate
# for specific deviations in the measurements. Please sepecify, if you want
# spectral correection to be done.
spectral_cor = FALSE # e.g. TRUE, set to FALSE, if your instrument already provided EEMs with spectral correction
#### Cut data to certain range ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Set a vector with range of wavelengths to be plotted and saved.
# Peak picking is done before range reduction.
# Emission wavelength:
em_range = c(0, Inf) # e.g. c(300,500), c(0,Inf) to use everything
# Excitation wavelength:
ex_range = c(0, Inf) # e.g. c(300,500), c(0,Inf) to use everything
# Cut all samples to fit largest range available in all samples
cut_range_to_smallest = FALSE # e.g. FALSE
#### Blank correction ####
#~~~~~~~~~~~~~~~~~~~~~~~~#
# A blank sample is subtracted from each sample. Blank samples have to be
# in the same (sub)folder as the according EEM samples. So different blanks are used
# for different subsets. The file names of the blanks have to contain nano,
# miliq, milliq, mq or blank (cases are ignored). Other samples must not
# contain these words in their names respectively!
blank_correction = TRUE # e.g. FALSE
#### Inner filter effect correction ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Inner filter effects are corrected. Absorbance data is needed. File or column designations
# of the absorbance data have to resamble file names of the EEM data.
ife_correction = TRUE # e.g. FALSE
#### Remove scattering and interpolate missing data ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Scattering is removed from the EEM spectra.
remove_scatter <- c(TRUE, TRUE, TRUE, TRUE) # logical values, ordered by raman1,raman2,rayleigh1,rayleigh2
# Set the width of removed scatter slot (usually 10 to 20).
# If you can still see traces of scattering after interpolation,
# this value should be increased. You can specify a vector containing
# separate widths for each scatter c(15,16,16,14), ordered by raman1,raman2,rayleigh1,rayleigh2.
remove_scatter_width = c(15, 15, 35, 20) # e.g. 15 or c(15,15,15,15)
# state whether removed scattering should be interpolated
interpolation <- TRUE # e.g. TRUE
#### Raman normalisation ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# State whether a Raman normalisation should be performed
# Either "blank" if a blank is present in each (sub)folder of the EEM data.
# Blank samples have to be in the same (sub)folder as the EEM samples. So
# different blanks are used for different subsets. The file names of the
# blanks have to contain nano, miliq, milliq, mq or blank (cases are ignored).
# Other samples must not contain these words in their names respectively!
# Normalisation is then calculated with this blank, the raman area as a number
# or "meta" if the raman areas should be taken from the meta data table.
raman_normalisation = "blank" # e.g. "blank", FALSE, 160, "meta"
#### Smooth data for peak picking ####
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~#
# Moving window size in nm for smoothing data along excitation wavelengths.
# Data must be interpolated if you want to use smoothing.
# This is used for peak picking but not saved.
smooth = 4 # e.g. FALSE, 4
##
## EEM samples missing absorbance data:
## blank_20190325 in ../data/EEMs
## GL16_3 in ../data/EEMs
## GL19_3 in ../data/EEMs
## GL20_1 in ../data/EEMs
## GL20_2 in ../data/EEMs
## GL20_3 in ../data/EEMs
## GL21_1 in ../data/EEMs
## GL21_2 in ../data/EEMs
## GL21_3 in ../data/EEMs
## GL3_2 in ../data/EEMs
## GL3_3 in ../data/EEMs
##
## Absorbance data with missing EEM samples:
## MQ in
## This can happen if you diluted for EEM and have additional undiluted absorbance samples.
## No metadata was checked. Table was missing.
## sample ex_min ex_max em_min em_max is_blank_corrected is_scatter_corrected is_ife_corrected
## 1 GL1_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 2 GL1_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 3 GL1_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 4 GL10_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 5 GL10_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 6 GL10_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 7 GL11_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 8 GL11_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 9 GL11_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 10 GL12_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 11 GL12_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 12 GL12_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 13 GL13_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 14 GL13_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 15 GL13_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 16 GL14_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 17 GL14_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 18 GL14_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 19 GL15_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 20 GL15_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 21 GL15_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 22 GL16_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 23 GL16_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 24 GL16_3 240 500 210.574 618.809 TRUE TRUE FALSE
## 25 GL17_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 26 GL17_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 27 GL17_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 28 GL18_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 29 GL18_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 30 GL18_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 31 GL19_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 32 GL19_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 33 GL19_3 240 500 210.574 618.809 TRUE TRUE FALSE
## 34 GL2_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 35 GL2_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 36 GL2_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 37 GL20_1 240 500 210.574 618.809 TRUE TRUE FALSE
## 38 GL20_2 240 500 210.574 618.809 TRUE TRUE FALSE
## 39 GL20_3 240 500 210.574 618.809 TRUE TRUE FALSE
## 40 GL21_1 240 500 210.574 618.809 TRUE TRUE FALSE
## 41 GL21_2 240 500 210.574 618.809 TRUE TRUE FALSE
## 42 GL21_3 240 500 210.574 618.809 TRUE TRUE FALSE
## 43 GL3_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 44 GL3_2 240 500 210.574 618.809 TRUE TRUE FALSE
## 45 GL3_3 240 500 210.574 618.809 TRUE TRUE FALSE
## 46 GL5_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 47 GL5_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 48 GL5_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 49 GL6_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 50 GL6_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 51 GL6_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 52 GL7_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 53 GL7_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 54 GL7_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 55 GL8_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 56 GL8_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 57 GL8_3 240 500 210.574 618.809 TRUE TRUE TRUE
## 58 GL9_1 240 500 210.574 618.809 TRUE TRUE TRUE
## 59 GL9_2 240 500 210.574 618.809 TRUE TRUE TRUE
## 60 GL9_3 240 500 210.574 618.809 TRUE TRUE TRUE
## is_raman_normalized
## 1 TRUE
## 2 TRUE
## 3 TRUE
## 4 TRUE
## 5 TRUE
## 6 TRUE
## 7 TRUE
## 8 TRUE
## 9 TRUE
## 10 TRUE
## 11 TRUE
## 12 TRUE
## 13 TRUE
## 14 TRUE
## 15 TRUE
## 16 TRUE
## 17 TRUE
## 18 TRUE
## 19 TRUE
## 20 TRUE
## 21 TRUE
## 22 TRUE
## 23 TRUE
## 24 TRUE
## 25 TRUE
## 26 TRUE
## 27 TRUE
## 28 TRUE
## 29 TRUE
## 30 TRUE
## 31 TRUE
## 32 TRUE
## 33 TRUE
## 34 TRUE
## 35 TRUE
## 36 TRUE
## 37 TRUE
## 38 TRUE
## 39 TRUE
## 40 TRUE
## 41 TRUE
## 42 TRUE
## 43 TRUE
## 44 TRUE
## 45 TRUE
## 46 TRUE
## 47 TRUE
## 48 TRUE
## 49 TRUE
## 50 TRUE
## 51 TRUE
## 52 TRUE
## 53 TRUE
## 54 TRUE
## 55 TRUE
## 56 TRUE
## 57 TRUE
## 58 TRUE
## 59 TRUE
## 60 TRUE
| sample | ex_min | ex_max | em_min | em_max | is_blank_corrected | is_scatter_corrected | is_ife_corrected | is_raman_normalized |
|---|---|---|---|---|---|---|---|---|
| GL1_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL1_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL1_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL10_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL10_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL10_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL11_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL11_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL11_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL12_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL12_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL12_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL13_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL13_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL13_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL14_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL14_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL14_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL15_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL15_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL15_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL16_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL16_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL16_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL17_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL17_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL17_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL18_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL18_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL18_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL19_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL19_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL19_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL2_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL2_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL2_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL20_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL20_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL20_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL21_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL21_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL21_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL3_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL3_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL3_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | FALSE | TRUE |
| GL5_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL5_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL5_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL6_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL6_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL6_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL7_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL7_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL7_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL8_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL8_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL8_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL9_1 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL9_2 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| GL9_3 | 240 | 500 | 210.574 | 618.809 | TRUE | TRUE | TRUE | TRUE |
| sample | bix | b | t | a | m | c | fi | hix | a254 | a300 | E2_E3 | E4_E6 | S275_295 | S350_400 | S300_700 | SR | p_S275_295 | p_S350_400 | p_S300_700 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GL1_1 | 2 | 0.028 | 0.034 | 0.017 | 0.0085 | 0.0045 | 1.8 | 0.21 | 4.5 | 2.5 | 4.6 | 2.7 | 0.014 | 0.032 | 0.14 | 0.43 | 3.4e-40 | 1e-50 | 0.9 |
| GL1_2 | 1.7 | 0.039 | 0.034 | 0.016 | 0.0086 | 0.0044 | 1.5 | 0.23 | 5.8 | 3.3 | 4.1 | 1.2 | 0.013 | 0.024 | 0.12 | 0.55 | 2e-43 | 3.4e-58 | 0.89 |
| GL1_3 | 1.7 | 0.027 | 0.034 | 0.013 | 0.0072 | 0.004 | 1.8 | 0.21 | 3.6 | 1.9 | 5.7 | 5.1 | 0.015 | 0.052 | 0.15 | 0.3 | 3.6e-43 | 2.2e-40 | 0.88 |
| GL10_1 | 1.4 | 0.0046 | 0.0078 | 0.0087 | 0.0029 | 0.0017 | 1 | 0.29 | 0.83 | 0.5 | 3.4 | 42 | 0.012 | 0.011 | 0.012 | 1.2 | 1.3e-40 | 6.9e-101 | 0 |
| GL10_2 | 1.2 | 0.0047 | 0.0083 | 0.0058 | 0.0031 | 0.0017 | 0.75 | 0.31 | 0.98 | 0.59 | 3.3 | 41 | 0.012 | 0.01 | 0.012 | 1.1 | 6.8e-38 | 1.2e-98 | 0 |
| GL10_3 | 1 | 0.006 | 0.0053 | 0.0063 | 0.0037 | 0.0019 | 0.61 | 0.26 | 1.2 | 0.77 | 3.2 | 28 | 0.012 | 0.011 | 0.011 | 1.1 | 1.2e-39 | 3.1e-100 | 0 |
| GL11_1 | 1 | 0.0017 | 0.002 | 0.0076 | 0.0037 | 0.0029 | 0.87 | 0.48 | 0.73 | 0.45 | 3.3 | 23 | 0.012 | 0.011 | 0.012 | 1.1 | 4.2e-42 | 4.5e-101 | 0 |
| GL11_2 | 0.93 | 0.0053 | 0.0095 | 0.0087 | 0.0045 | 0.0032 | 1 | 0.37 | 0.72 | 0.45 | 3.2 | 66 | 0.012 | 0.011 | 0.012 | 1.2 | 1.9e-35 | 2e-94 | 0 |
| GL11_3 | 0.73 | 0.0071 | 0.0048 | 0.0091 | 0.0037 | 0.0029 | 0.72 | 0.42 | 0.8 | 0.5 | 3.2 | 40 | 0.012 | 0.011 | 0.012 | 1 | 9.8e-35 | 1.1e-103 | 0 |
| GL12_1 | 0.83 | 0.00042 | 0.0039 | 0.0086 | 0.0045 | 0.0035 | 0.89 | 0.69 | 0.55 | 0.32 | 3.7 | 143 | 0.013 | 0.012 | 0.013 | 1.1 | 1.3e-34 | 2.5e-95 | 0 |
| GL12_2 | 0.9 | 0.00051 | 0.0041 | 0.0093 | 0.0048 | 0.0032 | 0.82 | 0.87 | 0.57 | 0.34 | 3.6 | 53 | 0.013 | 0.011 | 0.013 | 1.1 | 1.1e-34 | 1.6e-84 | 0 |
| GL12_3 | 0.79 | 0.0025 | 0.0039 | 0.0099 | 0.0047 | 0.0037 | 0.73 | 0.62 | 0.64 | 0.39 | 3.6 | 224 | 0.012 | 0.012 | 0.013 | 1.1 | 1.1e-32 | 2.3e-87 | 0 |
| GL13_1 | 2.8 | 0.014 | 0.046 | 0.026 | 0.0096 | 0.0024 | 0.67 | 0.23 | 1.1 | 0.73 | 2.8 | 9.1 | 0.01 | 0.0086 | 0.0088 | 1.2 | 5.2e-39 | 6.5e-102 | 0 |
| GL13_2 | 0.71 | 0.0016 | 0.0025 | 0.0062 | 0.0025 | 0.0018 | 0.19 | 0.4 | 0.65 | 0.41 | 3 | 33 | 0.011 | 0.01 | 0.011 | 1 | 1.4e-33 | 1.4e-90 | 0 |
| GL13_3 | 2.9 | 0.031 | 0.28 | 0.13 | 0.11 | 0.0038 | 1.5 | 0.23 | 0.68 | 0.43 | 3 | 34 | 0.012 | 0.0096 | 0.011 | 1.2 | 2.9e-36 | 7.7e-89 | 0 |
| GL14_1 | 0.48 | 0.0092 | 0.0064 | 0.01 | 0.0056 | 0.0054 | 0.99 | 0.43 | 0.73 | 0.41 | 4.2 | 44 | 0.013 | 0.013 | 0.015 | 1 | 1.2e-31 | 8e-103 | 0 |
| GL14_2 | 0.47 | 7e-05 | 0.0033 | 0.0095 | 0.0051 | 0.0051 | 0.92 | 0.83 | 0.41 | 0.24 | 4.3 | 35 | 0.014 | 0.015 | 0.018 | 0.89 | 3.6e-33 | 5.1e-89 | 0 |
| GL14_3 | 0.72 | 0.002 | 0.0044 | 0.011 | 0.0057 | 0.0057 | 0.84 | 0.65 | 0.46 | 0.26 | 4.6 | 12 | 0.014 | 0.015 | 0.016 | 0.93 | 2.8e-32 | 4.1e-68 | 0 |
| GL15_1 | 0.29 | 9.4e-05 | 0.0013 | 0.0073 | 0.0028 | 0.0025 | 0.51 | 0.58 | 0.58 | 0.35 | 3.8 | 96 | 0.012 | 0.012 | 0.014 | 1 | 9.2e-35 | 2.5e-92 | 0 |
| GL15_2 | 1.4 | -8.1e-20 | -1.1e-19 | 0.0068 | 0.0027 | 0.0024 | 0.46 | 0.58 | 0.51 | 0.31 | 3.7 | 102 | 0.012 | 0.014 | 0.014 | 0.88 | 5.7e-33 | 1.8e-73 | 0 |
| GL15_3 | 0.55 | 0.00013 | 0.0017 | 0.0063 | 0.0024 | 0.0027 | 0.57 | 0.57 | 0.57 | 0.34 | 3.5 | 608 | 0.013 | 0.012 | 0.013 | 1 | 4.3e-34 | 4.3e-74 | 0 |
| GL16_1 | 0.65 | 0.0018 | 0.0053 | 0.0083 | 0.0043 | 0.0035 | 0.72 | 0.59 | 0.56 | 0.33 | 3.5 | 34 | 0.013 | 0.01 | 0.011 | 1.3 | 4.9e-36 | 1.3e-62 | 0 |
| GL16_2 | 0.81 | 0.0034 | 0.0067 | 0.01 | 0.0041 | 0.0039 | 0.79 | 0.6 | 1 | 0.69 | 1.9 | 16 | 0.011 | 0.014 | 0.014 | 0.78 | 9.6e-35 | 4e-57 | 0 |
| GL16_3 | 0.77 | 0.0057 | 0.01 | 0.011 | 0.0047 | 0.0038 | 0.68 | 0.5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL17_1 | 2.1 | 0.012 | 0.012 | 0.0079 | 0.0045 | 0.0028 | 1.1 | 0.24 | 2.3 | 1.5 | 2.9 | 22 | 0.01 | 0.0097 | 0.011 | 1 | 3.3e-43 | 7.2e-97 | 0 |
| GL17_2 | 1.4 | 0.025 | 0.038 | 0.015 | 0.0075 | 0.005 | 1.4 | 0.26 | 2.2 | 1.3 | 3.2 | 19 | 0.012 | 0.01 | 0.011 | 1.2 | 6e-41 | 9.6e-107 | 0 |
| GL17_3 | 1.4 | 0.021 | 0.019 | 0.013 | 0.0064 | 0.0037 | 1.3 | 0.21 | 3.1 | 2 | 3 | 36 | 0.01 | 0.0097 | 0.011 | 1.1 | 3.7e-44 | 8.9e-99 | 0 |
| GL18_1 | 2.1 | -4.1e-20 | 0.0014 | 0.0041 | 0.0014 | 0.00062 | -1.2e-11 | 0.65 | 0.17 | 0.096 | 4.3 | -10 | 0.015 | 0.013 | 0.015 | 1.2 | 3.2e-31 | 4.1e-61 | 0 |
| GL18_2 | 2.4 | 0.00046 | 0.0069 | 0.0041 | 0.00091 | 0.00078 | 1.1e-17 | 0.41 | 0.18 | 0.1 | 4.5 | -9.4 | 0.014 | 0.013 | 0.015 | 1.1 | 4.9e-31 | 1.7e-67 | 0 |
| GL18_3 | 2.5 | 0.0064 | 0.017 | 0.0085 | 0.0023 | 7e-04 | Inf | 0.28 | 0.25 | 0.14 | 4.1 | -15 | 0.016 | 0.012 | 0.015 | 1.3 | 1.7e-33 | 3.1e-74 | 0 |
| GL19_1 | 0.66 | 0.0016 | 0.0028 | 0.0038 | 8e-04 | 0.00057 | 0 | 0.27 | 0.22 | 0.12 | 4 | -12 | 0.016 | 0.016 | 0.015 | 1 | 1.8e-32 | 3.9e-56 | 0 |
| GL19_2 | 0.8 | 0.0026 | 0.0036 | 0.0069 | 0.0021 | 0.00062 | 0 | 0.32 | 0.2 | -0.25 | -0.38 | 0.8 | 0 | 0 | 0.0022 | NaN | NaN | 1 | 4.2e-238 |
| GL19_3 | 11 | 0.0065 | 0.0056 | 0.0055 | 0.0018 | 0.001 | 2e-15 | 0.29 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL2_1 | 2.9 | 0.019 | 0.018 | 0.012 | 0.0059 | 0.0025 | 0.96 | 0.19 | 3.8 | 2.2 | 4.1 | 3.3 | 0.012 | 0.032 | 0.13 | 0.38 | 1.6e-42 | 6.9e-49 | 0.88 |
| GL2_2 | 3.1 | 0.012 | 0.014 | 0.0072 | 0.0036 | 0.0017 | 0.98 | 0.2 | 1.6 | 0.74 | 12 | 5.5 | 0.018 | 0.21 | 0.18 | 0.086 | 8.3e-41 | 7.7e-05 | 0.84 |
| GL2_3 | 2.5 | 0.014 | 0.017 | 0.0089 | 0.0037 | 0.0018 | 0.59 | 0.2 | 2 | 1 | 8.3 | 5.4 | 0.016 | 0.12 | 0.18 | 0.13 | 8.7e-42 | 6.3e-21 | 0.87 |
| GL20_1 | 0.61 | 8.1e-20 | 0.00026 | 0.0043 | 0.0017 | 0.0014 | 2.3e-17 | 0.59 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL20_2 | 1.3 | -1.1e-19 | -1.1e-19 | 0.0053 | 0.0014 | 0.0011 | -2.6e-11 | 0.67 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL20_3 | 0.31 | 8.5e-20 | 0.00012 | 0.0032 | 0.0011 | 0.00089 | 1.4 | 0.69 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL21_1 | 0.38 | -4.4e-20 | 0.00057 | 0.004 | 0.0013 | 0.00099 | 0.081 | 0.5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL21_2 | 0.91 | -2e-20 | 0.00035 | 0.0068 | 0.0017 | 0.0013 | 0.059 | 0.5 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL21_3 | 2.1 | 0.0015 | 0.00043 | 0.0047 | 0.0017 | 0.001 | 1.5e-13 | 0.53 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL3_1 | 2.1 | 0.0024 | 0.0013 | 0.0079 | 0.0031 | 0.0017 | 0.6 | 0.42 | 5.8 | 4.6 | 1.8 | 12 | 0.0053 | 0.0056 | 0.007 | 0.94 | 1.4e-41 | 4e-119 | 0 |
| GL3_2 | 1.7 | 0.04 | 0.092 | 0.017 | 0.0099 | 0.0043 | 1.3 | 0.16 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL3_3 | 0.75 | 0.0042 | 0.0082 | 0.011 | 0.0027 | 0.0017 | 0.083 | 0.33 | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA | NA |
| GL5_1 | 1.1 | 0.0037 | 0.0049 | 0.012 | 0.0052 | 0.0052 | 1 | 0.58 | 0.77 | 0.48 | 3.3 | 32 | 0.012 | 0.013 | 0.012 | 0.91 | 5.1e-34 | 1e-89 | 0 |
| GL5_2 | 0.58 | 6.8e-20 | 0.001 | 0.0084 | 0.0036 | 0.0039 | 1.1 | 0.81 | 0.33 | 0.23 | 2.3 | 12 | 0.01 | 0.028 | 0.016 | 0.36 | 9.8e-28 | 1.5e-50 | 0 |
| GL5_3 | 0.72 | 3.2e-20 | 0.0025 | 0.008 | 0.0046 | 0.004 | 1.4 | 0.78 | 0.29 | 0.21 | 2 | -29 | 0.01 | 0.031 | 0.018 | 0.33 | 6.2e-27 | 8.2e-47 | 0 |
| GL6_1 | 1.3 | 0.0072 | 0.0094 | 0.008 | 0.0042 | 0.003 | 0.77 | 0.32 | 1.8 | 1.2 | 2.9 | 15 | 0.011 | 0.013 | 0.011 | 0.79 | 1.2e-37 | 1.4e-72 | 0 |
| GL6_2 | 0.99 | 0.0039 | 0.0034 | 0.0099 | 0.0036 | 0.0027 | 0.96 | 0.48 | 1.5 | 0.95 | 3 | 16 | 0.011 | 0.015 | 0.011 | 0.74 | 3.5e-41 | 4e-72 | 0 |
| GL6_3 | 1.1 | 0.003 | 0.0026 | 0.0074 | 0.0028 | 0.0027 | 0.93 | 0.39 | 1.4 | 1.2 | 1.2 | 6.5 | 0.0044 | 0.035 | 0.016 | 0.12 | 8e-24 | 1.3e-40 | 0 |
| GL7_1 | 2.4 | 0.043 | 0.046 | 0.019 | 0.01 | 0.004 | 1.5 | 0.17 | 7.2 | 4.1 | 4.4 | 1.2 | 0.013 | 0.023 | 0.12 | 0.57 | 2.9e-42 | 1.6e-60 | 0.87 |
| GL7_2 | 2.1 | 0.027 | 0.023 | 0.014 | 0.0083 | 0.0035 | 1.7 | 0.25 | 7.9 | 4.7 | 4.1 | -0.61 | 0.012 | 0.02 | 0.11 | 0.61 | 1.3e-42 | 3e-66 | 0.91 |
| GL7_3 | 2.4 | 0.024 | 0.017 | 0.012 | 0.0065 | 0.003 | 3.7 | 0.23 | 5.3 | 3 | 4.8 | 3 | 0.013 | 0.031 | 0.13 | 0.43 | 4.9e-41 | 7.2e-52 | 0.89 |
| GL8_1 | 2 | 0.015 | 0.0098 | 0.0074 | 0.0045 | 0.0021 | 0.7 | 0.19 | 3.7 | 2 | 5 | 3.6 | 0.013 | 0.04 | 0.15 | 0.34 | 3.5e-42 | 1.2e-43 | 0.91 |
| GL8_2 | 2.5 | 0.021 | 0.011 | 0.011 | 0.0068 | 0.0027 | 7 | 0.24 | 6.3 | 3.9 | 3.4 | -2.6 | 0.011 | 0.018 | 0.11 | 0.59 | 2.5e-43 | 1.3e-63 | 0.93 |
| GL8_3 | 1.9 | 0.022 | 0.011 | 0.01 | 0.0059 | 0.0029 | 3.3 | 0.2 | 6.6 | 4.1 | 3.5 | -2.9 | 0.011 | 0.018 | 0.1 | 0.6 | 3.9e-44 | 4.3e-64 | 0.93 |
| GL9_1 | 1.6 | 0.027 | 0.02 | 0.014 | 0.0062 | 0.0035 | 1.4 | 0.21 | 6.5 | 4 | 3.5 | -2.5 | 0.011 | 0.018 | 0.11 | 0.6 | 5.2e-43 | 8.4e-65 | 0.92 |
| GL9_2 | 1.7 | 0.029 | 0.024 | 0.012 | 0.0066 | 0.0032 | 0.93 | 0.23 | 4 | 2.2 | 5.1 | 3.7 | 0.014 | 0.039 | 0.14 | 0.35 | 2.5e-40 | 4.3e-46 | 0.91 |
| GL9_3 | 2 | 0.032 | 0.034 | 0.013 | 0.0077 | 0.0038 | 1.3 | 0.18 | 4.7 | 2.7 | 4.7 | 3 | 0.014 | 0.032 | 0.13 | 0.42 | 1e-40 | 9.9e-50 | 0.9 |